3-(azetidin-1-yl)-N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-iminopropanimidamide

C12H18N6 — CID 123297261

IUPAC3-(azetidin-1-yl)-N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-iminopropanimidamide
SMILES[H]/N=C(/C/C(N)=N/c1cc(C2CC2)[nH]n1)N1CCC1
InChIInChI=1S/C12H18N6/c13-10(7-11(14)18-4-1-5-18)15-12-6-9(16-17-12)8-2-3-8/h6,8,14H,1-5,7H2,(H3,13,15,16,17)/b14-11-
InChIKeyCHFPJXDMTZGHOJ-KAMYIIQDSA-N
MW246.32 g/mol
LogP1.35
Rot. Bonds4

About 3-(azetidin-1-yl)-N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-iminopropanimidamide

3-(azetidin-1-yl)-N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-iminopropanimidamide (PubChem CID 123297261) has the molecular formula C12H18N6 and a molecular weight of 246.32 g/mol. Its IUPAC name is 3-(azetidin-1-yl)-N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-iminopropanimidamide.

Molecular Properties

Compound Name3-(azetidin-1-yl)-N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-iminopropanimidamide
PubChem CID123297261
Molecular FormulaC12H18N6
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC Name3-(azetidin-1-yl)-N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-iminopropanimidamide
SMILES[H]/N=C(/C/C(N)=N/c1cc(C2CC2)[nH]n1)N1CCC1
InChIInChI=1S/C12H18N6/c13-10(7-11(14)18-4-1-5-18)15-12-6-9(16-17-12)8-2-3-8/h6,8,14H,1-5,7H2,(H3,13,15,16,17)/b14-11-
InChIKeyCHFPJXDMTZGHOJ-KAMYIIQDSA-N
XLogP1.35
TPSA94.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-(4-fluoropiperidin-1-yl)-3-iminopropanimidamide
CID 123691679
N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[4-(2-fluoroethyl)piperazin-1-yl]-3-iminopropanimidamide
CID 123827341
N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-imino-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanimidamide
CID 123884886
(e)-n'-(3-Tert-butyl-1h-pyrazol-5-yl)-n,n-dimethylformimidamide
CID 13469998
(5-Cyclopropyl-2H-pyrazol-3-yl)-(3-methyl-butyl)-amine
CID 57910123
5-cyclopropyl-N-(2-methylpropyl)-1H-pyrazol-3-amine
CID 63049373
(E)-N'-(3-isopropyl-1H-pyrazol-5-yl)-N,N-dimethylformimidamide
CID 66643263
(Z)-3-amino-N'-(5-cyclopropyl-1H-pyrazol-3-yl)prop-2-enimidamide
CID 89510105
3-Amino-5-(1-methyl-4-piperidyl)pyrazole
CID 115015725
3-cyclopropyl-N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-iminopropanimidamide
CID 123150480
N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[3-(dimethylamino)pyrrolidin-1-yl]-3-iminopropanimidamide
CID 123165666
1-N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-N,3-N-diethylpropanediimidamide
CID 123192880

Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-1-yl)-N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-iminopropanimidamide?
The IUPAC name of 3-(azetidin-1-yl)-N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-iminopropanimidamide (CID 123297261) is 3-(azetidin-1-yl)-N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-iminopropanimidamide.
What is the SMILES notation for 3-(azetidin-1-yl)-N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-iminopropanimidamide?
The canonical SMILES for 3-(azetidin-1-yl)-N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-iminopropanimidamide is [H]/N=C(/C/C(N)=N/c1cc(C2CC2)[nH]n1)N1CCC1.
What is the InChIKey of 3-(azetidin-1-yl)-N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-iminopropanimidamide?
The InChIKey is CHFPJXDMTZGHOJ-KAMYIIQDSA-N. The full InChI is InChI=1S/C12H18N6/c13-10(7-11(14)18-4-1-5-18)15-12-6-9(16-17-12)8-2-3-8/h6,8,14H,1-5,7H2,(H3,13,15,16,17)/b14-11-.
What are the key properties of 3-(azetidin-1-yl)-N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-iminopropanimidamide?
3-(azetidin-1-yl)-N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-iminopropanimidamide has a molecular weight of 246.32 g/mol, XLogP of 1.35, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-1-yl)-N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-iminopropanimidamide is sourced from PubChem (CID 123297261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).